BDBM50122826 (Cyclazosin)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-octahydro-quinoxalin-1-yl]-furan-2-yl-methanone::CHEMBL97698::[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-octahydro-quinoxalin-1-yl]-furan-2-yl-methanone

SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1

InChI Key InChIKey=XBRXTUGRUXGBPX-UHFFFAOYSA-N

Data  12 KI

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50122826   

TargetBeta-casein(Rattus norvegicus)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50122826((Cyclazosin)[4-(4-Amino-6,7-dimethoxy-quinazolin-2...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)
Affinity DataKi:  0.269nMAssay Description:Compound was tested for binding affinity against native Alpha-1B adrenergic receptor from rat liver using radioligand ([3H]prazosin) binding assayMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(C.H.O.)
H. Lundbeck A/S

Curated by ChEMBL
LigandPNGBDBM50122826((Cyclazosin)[4-(4-Amino-6,7-dimethoxy-quinazolin-2...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)
Affinity DataKi:  0.460nMAssay Description:Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50122826((Cyclazosin)[4-(4-Amino-6,7-dimethoxy-quinazolin-2...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)
Affinity DataKi:  0.525nMAssay Description:Compound was tested for binding affinity against cloned Alpha-1D adrenergic receptor from rat brain.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50122826((Cyclazosin)[4-(4-Amino-6,7-dimethoxy-quinazolin-2...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)
Affinity DataKi:  0.562nMAssay Description:Binding affinity against native Alpha-1 adrenergic receptor from rat cerebral cortex using radioligand [3H]-prazosin binding assayMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50122826((Cyclazosin)[4-(4-Amino-6,7-dimethoxy-quinazolin-2...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)
Affinity DataKi:  0.589nMAssay Description:Compound was tested for binding affinity against cloned Alpha-1B adrenergic receptor from hamster smooth muscle using radioligand ([3H]prazosin) bind...More data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50122826((Cyclazosin)[4-(4-Amino-6,7-dimethoxy-quinazolin-2...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)
Affinity DataKi:  0.860nMAssay Description:Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50122826((Cyclazosin)[4-(4-Amino-6,7-dimethoxy-quinazolin-2...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)
Affinity DataKi:  3.90nMAssay Description:Binding affinity against native Alpha-1A adrenergic receptor from rat hippocampus pretreated with chloroethylclonidine using radioligand ([3H]prazosi...More data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(CALF)
H. Lundbeck A/S

Curated by ChEMBL
LigandPNGBDBM50122826((Cyclazosin)[4-(4-Amino-6,7-dimethoxy-quinazolin-2...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)
Affinity DataKi:  5.10nMAssay Description:Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(CALF)
H. Lundbeck A/S

Curated by ChEMBL
LigandPNGBDBM50122826((Cyclazosin)[4-(4-Amino-6,7-dimethoxy-quinazolin-2...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)
Affinity DataKi:  6.60nMAssay Description:Compound was tested for binding affinity against cloned Alpha-1A adrenergic receptor from bovine brain using radioligand ([3H]prazosin) binding assayMore data for this Ligand-Target Pair
LigandPNGBDBM50122826((Cyclazosin)[4-(4-Amino-6,7-dimethoxy-quinazolin-2...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)
Affinity DataKi:  676nMAssay Description:Binding affinity against native Alpha-2 adrenergic receptor from rat cerebral cortex using radioligand ([3H]rauwolscine) binding assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50122826((Cyclazosin)[4-(4-Amino-6,7-dimethoxy-quinazolin-2...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)
Affinity DataKi:  6.92E+3nMAssay Description:Binding affinity against native 5-HT1A-receptors from rat hippocampus using radioligand ([3H]8-hydroxy-2-(di-n-propylamino)-tetraline) binding assayMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50122826((Cyclazosin)[4-(4-Amino-6,7-dimethoxy-quinazolin-2...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)
Affinity DataKi: <1.00E+4nMAssay Description:Compound was tested for binding affinity against native Dopamine receptor D2 from rat striatum using radioligand [3H]-spiperone)More data for this Ligand-Target Pair